N-benzyl-N'-(2-methylpropyl)oxamide

C13H18N2O2 — CID 2058082

IUPACN-benzyl-N'-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(2)8-14-12(16)13(17)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBURFKQXYDNTUFW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.08
Rot. Bonds4

About N-benzyl-N'-(2-methylpropyl)oxamide

N-benzyl-N'-(2-methylpropyl)oxamide (PubChem CID 2058082) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-benzyl-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-methylpropyl)oxamide
PubChem CID2058082
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-benzyl-N'-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(2)8-14-12(16)13(17)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBURFKQXYDNTUFW-UHFFFAOYSA-N
XLogP1.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-methylpropyl)oxamide?
The IUPAC name of N-benzyl-N'-(2-methylpropyl)oxamide (CID 2058082) is N-benzyl-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-benzyl-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-benzyl-N'-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-(2-methylpropyl)oxamide?
The InChIKey is BURFKQXYDNTUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)8-14-12(16)13(17)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-benzyl-N'-(2-methylpropyl)oxamide?
N-benzyl-N'-(2-methylpropyl)oxamide has a molecular weight of 234.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-methylpropyl)oxamide is sourced from PubChem (CID 2058082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).